Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL461653 | 0.82 | CES1 (0.50) | CES1CES2SRCCA1CA2 | |
| SCHEMBL6203510 | 0.82 | CES1 (0.56) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL12260648 | 0.80 | CES1 (0.58) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL17080312 | 0.80 | CES1 (0.58) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL28993094 | 0.79 | CES1 (0.53) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL16147101 | 0.79 | CES1 (0.56) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL9850344 | 0.78 | CES1 (0.50) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL11819939 | 0.74 | CES1 (0.50) | CES1CES2NPC1RAB9APTGS2 | |
| SCHEMBL2319756 | 0.73 | KMT2A (0.54) | CES1CES2NPC1RAB9ACDK5 | |
| SCHEMBL3939301 | 0.73 | CES2 (0.53) | CES1CES2NPC1RAB9ASRC |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105518001-A | MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES | Bayer Pharma AG | 2016-04-20 | — | — | CN | disclosed |
| EP-0433112-A1 | Modified gangliosides and the functional derivatives thereof | FIDIA S.p.A. (IT) | 1991-06-19 | — | — | EP | disclosed |